Found 2755 hits with Last Name = 'shen' and Initial = 'x' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092959
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092961
(1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092969
(CHEMBL74117 | Cyclopropyl-(4-{1-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C29H36N2O4S/c1-21(22-5-9-27(10-6-22)36(33,34)28-11-7-26(35-2)8-12-28)23-13-17-30(18-14-23)25-15-19-31(20-16-25)29(32)24-3-4-24/h5-12,23-25H,1,3-4,13-20H2,2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092958
(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092962
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521937
(CHEMBL4564687)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521925
(CHEMBL4529532)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521933
(CHEMBL4440980)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521938
(CHEMBL4545456)Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521935
(CHEMBL4589135)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092968
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092974
(1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092960
(1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...)Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092965
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521934
(CHEMBL4546255)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521936
(CHEMBL4560219)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r| Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092973
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092963
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092970
(1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfon...)Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092972
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3 | PDB
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UniChem
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| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521927
(CHEMBL4466797)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C24H30FN7/c1-16-5-3-4-10-32-23(16)19(14-28-32)22-20(25)15-27-24(30-22)29-21-7-6-18(13-26-21)17-8-11-31(2)12-9-17/h6-7,13-17H,3-5,8-12H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092964
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H34N2O5S/c1-20(22-12-16-28(17-13-22)23-14-18-29(19-15-23)27(30)34-3)21-4-8-25(9-5-21)35(31,32)26-10-6-24(33-2)7-11-26/h4-11,22-23H,1,12-19H2,2-3H3 | PDB
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UniChem
Similars
| Article
PubMed
| 0.991 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521924
(CHEMBL4578267)Show SMILES C[C@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1 | PDB
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UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521940
(CHEMBL4539133)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r| Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
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| PC cid
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092957
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50174298
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3 | PDB
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521939
(CHEMBL4520067)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cnn4CCCC[C@@H](C)c34)nc2)CC1 |r| Show InChI InChI=1S/C25H33FN8/c1-3-32-10-12-33(13-11-32)17-19-7-8-22(27-14-19)30-25-28-16-21(26)23(31-25)20-15-29-34-9-5-4-6-18(2)24(20)34/h7-8,14-16,18H,3-6,9-13,17H2,1-2H3,(H,27,28,30,31)/t18-/m1/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521926
(CHEMBL4561999)Show SMILES C[C@@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092966
(1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | PDB
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521937
(CHEMBL4564687)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521935
(CHEMBL4589135)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r| Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521932
(CHEMBL4588989)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCCc23)nc1 Show InChI InChI=1S/C22H27FN8/c1-29-9-11-30(12-10-29)16-6-7-20(24-13-16)27-22-25-15-18(23)21(28-22)17-14-26-31-8-4-2-3-5-19(17)31/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,25,27,28) | PDB
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| PC cid
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521938
(CHEMBL4545456)Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r| Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
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PC cid
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| PDB
Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092971
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C29H38N2O4S/c1-21(2)29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)36(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | PDB
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Similars
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131550
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 18: 1773-82 (2010)
Article DOI: 10.1016/j.bmc.2010.01.055
BindingDB Entry DOI: 10.7270/Q2X06811 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521928
(CHEMBL4536835)Show SMILES CC(C)c1c(cnn1C)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092975
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C33H38N2O4S/c1-25(27-8-12-31(13-9-27)40(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521925
(CHEMBL4529532)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r| Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521941
(CHEMBL4569666)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCc23)nc1 Show InChI InChI=1S/C21H25FN8/c1-28-8-10-29(11-9-28)15-5-6-19(23-12-15)26-21-24-14-17(22)20(27-21)16-13-25-30-7-3-2-4-18(16)30/h5-6,12-14H,2-4,7-11H2,1H3,(H,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092967
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)Show SMILES CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O4S/c1-4-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)35(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521931
(CHEMBL4435669)Show SMILES C[C@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50340378
(3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...)Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521936
(CHEMBL4560219)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r| Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521933
(CHEMBL4440980)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r| Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092959
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50435691
(CHEMBL2391968)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521934
(CHEMBL4546255)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092957
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092968
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50521940
(CHEMBL4539133)Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r| Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression... |
Bioorg Med Chem Lett 29: 2294-2301 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT |
More data for this
Ligand-Target Pair | |
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